8-(4-bromophenyl)-N-hydroxy-8-oxooctanamide

C14H18BrNO3 — CID 11120992

IUPAC8-(4-bromophenyl)-N-hydroxy-8-oxooctanamide
SMILESO=C(CCCCCCC(=O)c1ccc(Br)cc1)NO
InChIInChI=1S/C14H18BrNO3/c15-12-9-7-11(8-10-12)13(17)5-3-1-2-4-6-14(18)16-19/h7-10,19H,1-6H2,(H,16,18)
InChIKeyRFYYZRFJBNAHCG-UHFFFAOYSA-N
MW328.21 g/mol
LogP3.48
Rot. Bonds8

About 8-(4-bromophenyl)-N-hydroxy-8-oxooctanamide

8-(4-bromophenyl)-N-hydroxy-8-oxooctanamide (PubChem CID 11120992) has the molecular formula C14H18BrNO3 and a molecular weight of 328.21 g/mol. Its IUPAC name is 8-(4-bromophenyl)-N-hydroxy-8-oxooctanamide.

Molecular Properties

Compound Name8-(4-bromophenyl)-N-hydroxy-8-oxooctanamide
PubChem CID11120992
Molecular FormulaC14H18BrNO3
Molecular Weight328.21 g/mol
Exact Mass327.05
IUPAC Name8-(4-bromophenyl)-N-hydroxy-8-oxooctanamide
SMILESO=C(CCCCCCC(=O)c1ccc(Br)cc1)NO
InChIInChI=1S/C14H18BrNO3/c15-12-9-7-11(8-10-12)13(17)5-3-1-2-4-6-14(18)16-19/h7-10,19H,1-6H2,(H,16,18)
InChIKeyRFYYZRFJBNAHCG-UHFFFAOYSA-N
XLogP3.48
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(4-bromophenyl)-N-hydroxy-8-oxooctanamide?
The IUPAC name of 8-(4-bromophenyl)-N-hydroxy-8-oxooctanamide (CID 11120992) is 8-(4-bromophenyl)-N-hydroxy-8-oxooctanamide.
What is the SMILES notation for 8-(4-bromophenyl)-N-hydroxy-8-oxooctanamide?
The canonical SMILES for 8-(4-bromophenyl)-N-hydroxy-8-oxooctanamide is O=C(CCCCCCC(=O)c1ccc(Br)cc1)NO.
What is the InChIKey of 8-(4-bromophenyl)-N-hydroxy-8-oxooctanamide?
The InChIKey is RFYYZRFJBNAHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO3/c15-12-9-7-11(8-10-12)13(17)5-3-1-2-4-6-14(18)16-19/h7-10,19H,1-6H2,(H,16,18).
What are the key properties of 8-(4-bromophenyl)-N-hydroxy-8-oxooctanamide?
8-(4-bromophenyl)-N-hydroxy-8-oxooctanamide has a molecular weight of 328.21 g/mol, XLogP of 3.48, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-bromophenyl)-N-hydroxy-8-oxooctanamide is sourced from PubChem (CID 11120992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).